N-[(4-fluorophenyl)methyl]-N-methyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-benzamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-N-methyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-benzamide Openeye Name: 3-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N-[(4-fluorophenyl)methyl]-N-methyl-benzamide CAS Name: N-[(4-fluorophenyl)methyl]-N-methyl-3-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]benzamide IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N-[(4-fluorophenyl)methyl]-N-methylbenzamide Traditional Name: 3-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N-(4-fluorobenzyl)-N-methyl-benzamide Formula: C26H29FN3O3S+ MolecularWeight: 482.590163

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)F)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CN(CC1=CC=C(C=C1)F)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H28FN3O3S/c1-28(19-22-10-12-24(27)13-11-22)26(31)23-8-5-9-25(18-23)34(32,33)30-16-14-29(15-17-30)20-21-6-3-2-4-7-21/h2-13,18H,14-17,19-20H2,1H3/p+1